SCHEMBL3002693

SCHEMBL3002693

COC1OC2(CCN(Cc3ccccc3)CC2)c2cnn(-c3ccccc3)c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 1.00
▸ ADRA2A P08913 1/20 0.63
▸ SIGMAR1 Q99720 1/20 0.63

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3005351 0.87 KCNH2 (1.00) KCNH2
SCHEMBL3002969 0.82 — —
SCHEMBL3010186 0.81 KCNH2 (0.69) KCNH2SIGMAR1
SCHEMBL3009508 0.80 KCNH2 (0.68) KCNH2
SCHEMBL25358487 0.78 SIGMAR1 (1.00) KCNH2ADRA2ASIGMAR1
SCHEMBL3003660 0.76 — —
SCHEMBL3007060 0.76 — —
SCHEMBL3006643 0.76 SIGMAR1 (0.64) KCNH2SIGMAR1
SCHEMBL3012561 0.73 ADRA2A (0.67) ADRA2ASIGMAR1
SCHEMBL25354914 0.73 ADRA2A (0.59) KCNH2ADRA2ASIGMAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2144915-B1 SPIRO-PYRANO-PYRAZOLE DERIVATIVES ESTEVE LABOR DR (ES) 2014-03-19 — — EP claimed
US-20100197714-A1 SPIRO-PYRANO-PYRAZOLE DERIVATIVES LABORATORIOS DEL. DR. ESTEVE, S.A. (ES) 2010-08-05 — — US claimed
EP-1982987-A1 Spiro-pyrano-pyrazole derivatives Laboratorios del Dr. Esteve S.A. (ES) 2008-10-22 — — EP claimed
EP-2144915-B1 SPIRO-PYRANO-PYRAZOLE DERIVATIVES ESTEVE LABOR DR (ES) 2014-03-19 — — EP disclosed
EP-2144915-B1 SPIRO-PYRANO-PYRAZOLE DERIVATIVES ESTEVE LABOR DR (ES) 2014-03-19 — — EP disclosed
US-20100197714-A1 SPIRO-PYRANO-PYRAZOLE DERIVATIVES LABORATORIOS DEL. DR. ESTEVE, S.A. (ES) 2010-08-05 — — US disclosed
US-20100197714-A1 SPIRO-PYRANO-PYRAZOLE DERIVATIVES LABORATORIOS DEL. DR. ESTEVE, S.A. (ES) 2010-08-05 — — US disclosed
US-20100197714-A1 SPIRO-PYRANO-PYRAZOLE DERIVATIVES LABORATORIOS DEL. DR. ESTEVE, S.A. (ES) 2010-08-05 — — US disclosed
WO-2008125349-A1 SPIRO-PYRANO-PYRAZOLE DERIVATIVES LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-10-23 — — WO disclosed
EP-1982987-A1 Spiro-pyrano-pyrazole derivatives Laboratorios del Dr. Esteve S.A. (ES) 2008-10-22 — — EP disclosed
EP-1982987-A1 Spiro-pyrano-pyrazole derivatives Laboratorios del Dr. Esteve S.A. (ES) 2008-10-22 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100197714-A1 SPIRO-PYRANO-PYRAZOLE DERIVATIVES SIGMAR1, TMEM97, OPRD1 KCNH2 645/4885ADRA2A 21/4885SIGMAR1 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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